CHEBI:79720 - 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate

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ChEBI Name 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate
ChEBI ID CHEBI:79720
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H32O11S
Net Charge 0
Average Mass 528.56900
Monoisotopic Mass 528.16653
InChI InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(33-23-20(27)18(25)19(26)21(34-23)22(28)29)10-11(13)2-4-15(14)16(24)6-7-17(24)35-36(30,31)32/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey XZXBPAODZJETKT-QXYWQCSFSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)[C@@H]1CC[C@@H]2OS(O)(=O)=O
ChEBI Ontology
Outgoing 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate (CHEBI:79720) is a steroid glucosiduronic acid (CHEBI:26763)
Synonym Source
Estradiol 3-glucuronide 17beta-sulfate KEGG COMPOUND
Manual Xref Database
C15207 KEGG COMPOUND
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